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Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate
TL;DR: Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate (CAS 4766-56-7) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamate
Also Known As: Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate, ethyl N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamate, Ethyl 2-[(3-methyl-1-benzothiophen-2-yl)methylidene]hydrazine-1-carboxylate
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.28972 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 589.6888 |
Chemical Identifiers
| CAS Number | 4766-56-7 |
|---|---|
| SMILES | CCOC(=O)NN=CC1=C(C2=CC=CC=C2S1)C |
Product Overview
Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate (CAS 4766-56-7), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: ethyl N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamate.
Chemical Property Profile of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate
Property Insights of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate
The XLogP value of 3.28972 indicates that Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate?
The CAS number of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate is 4766-56-7.
What is the molecular formula of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate?
The molecular formula of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate is C13H14N2O2S.
What is the molecular weight of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate?
The molecular weight of Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate is 262.08 g/mol.
Where can I buy Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate?
You can request a quote for Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-[(3-methylbenzothiophen-2-yl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.